SCHEMBL2300956

SCHEMBL2300956

OB(O)c1ccc(COc2ccccn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ LPL P06858 2/20 0.40
▸ LIPG Q9Y5X9 2/20 0.40
▸ LIPE Q05469 1/20 0.40
▸ PSMB5 P28074 1/20 0.40
▸ LTA4H P09960 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ F11 P03951 1/20 0.39
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ ENPP2 Q13822 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ CA5B Q9Y2D0 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29923445 1.00 NPC1 (0.54) NPC1ALDH1A1CYP2D6CYP2C19LPL
SCHEMBL10055039 0.86 NPC1 (0.68) NPC1ALDH1A1CYP2D6CYP2C19LTA4H
SCHEMBL30518397 0.81 NPC1 (0.58) NPC1ALDH1A1CYP2D6CYP2C19LTA4H
SCHEMBL510167 0.81 NPC1 (0.58) NPC1ALDH1A1CYP2D6CYP2C19LTA4H
SCHEMBL29816629 0.80 ALDH1A1 (0.61) NPC1ALDH1A1CYP2D6CYP2C19PSMB5
SCHEMBL223680 0.80 ALDH1A1 (0.61) NPC1ALDH1A1CYP2D6CYP2C19PSMB5
SCHEMBL12330474 0.78 CA1 (0.43) NPC1ALDH1A1CYP2D6CYP2C19PSMB5
SCHEMBL6130101 0.77 NPC1 (0.58) NPC1ALDH1A1CYP2D6CYP2C19LTA4H
SCHEMBL510090 0.77 NPC1 (0.63) NPC1ALDH1A1CYP2D6CYP2C19LTA4H
SCHEMBL18429765 0.77 NPC1 (0.58) NPC1ALDH1A1CYP2D6CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115073469-B Preparation and application of pyrrolopyrimidine compound as kinase inhibitor 药雅科技(上海)有限公司 2023-12-22 — — CN disclosed
CN-115073469-A Preparation and application of pyrrolopyrimidine compound as kinase inhibitor 药雅科技(上海)有限公司 2022-09-20 — — CN disclosed
EP-2223926-B1 PYRIDINE DERIVATIVE SUBSTITUTED WITH HETEROCYCLE AND PHOSPHONOXYMETHYL GROUP AND ANTIFUNGAL AGENT CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2014-02-12 — — EP disclosed
US-8513287-B2 Heterocyclic ring and phosphonoxymethyl group substituted pyridine derivatives and antifungal agent containing same EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-20 — — US disclosed
US-8513287-B2 Heterocyclic ring and phosphonoxymethyl group substituted pyridine derivatives and antifungal agent containing same EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-20 — — US disclosed
US-8513287-B2 Heterocyclic ring and phosphonoxymethyl group substituted pyridine derivatives and antifungal agent containing same EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-20 — — US disclosed
US-8410277-B2 Method for manufacturing heterocycle substituted pyridine derivatives Eisai R&D Managment Co., Ltd. (JP) 2013-04-02 — — US disclosed
US-8410277-B2 Method for manufacturing heterocycle substituted pyridine derivatives Eisai R&D Managment Co., Ltd. (JP) 2013-04-02 — — US disclosed
US-8410277-B2 Method for manufacturing heterocycle substituted pyridine derivatives Eisai R&D Managment Co., Ltd. (JP) 2013-04-02 — — US disclosed
US-20120277439-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND y-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME TANAKA KEIGO (JP) 2012-11-01 — — US disclosed
US-20110263845-A1 METHOD FOR MANUFACTURING HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-10-27 — — US disclosed
EP-2351752-A1 PYRIDINE DERIVATIVE HAVING SUBSTITUTED HETERO RING AND SUBSTITUTED y-GLUTAMYLAMINO GROUP, AND ANTI-FUNGAL AGENT COMPRISING SAME Eisai R&D Management Co., Ltd. (JP) 2011-08-03 — — EP disclosed
EP-2226320-A1 PROCESS FOR PRODUCTION OF HETEROCYCLE-SUBSTITUTED PYRIDINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-09-08 — — EP disclosed
EP-2223926-A1 PYRIDINE DERIVATIVE SUBSTITUTED WITH HETEROCYCLE AND PHOSPHONOXYMETHYL GROUP AND ANTIFUNGAL AGENT CONTAINING THE SAME Eisai R&D Management Co., Ltd. (JP) 2010-09-01 — — EP disclosed
US-20100105737-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND gamma-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-29 — — US disclosed
US-20100105737-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND gamma-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-29 — — US disclosed
US-20100105737-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND gamma-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-29 — — US disclosed
US-20090233883-A1 HETEROCYCLIC RING AND PHOSPHONOXYMETHYL GROUP SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING SAME EISAI R&D MANAGEMENT CO. LTD. (JP) 2009-09-17 — — US disclosed
US-20090233883-A1 HETEROCYCLIC RING AND PHOSPHONOXYMETHYL GROUP SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING SAME EISAI R&D MANAGEMENT CO. LTD. (JP) 2009-09-17 — — US disclosed
US-20090233883-A1 HETEROCYCLIC RING AND PHOSPHONOXYMETHYL GROUP SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING SAME EISAI R&D MANAGEMENT CO. LTD. (JP) 2009-09-17 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100105737-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND gamma-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME ASNS, ERG28, GLUL NPC1 350/4885ALDH1A1 1834/4885CYP2D6 101/4885
US-20120277439-A1 PYRIDINE DERIVATIVES SUBSTITUTED WITH HETEROCYCLIC RING AND y-GLUTAMYLAMINO GROUP, AND ANTIFUNGAL AGENTS CONTAINING SAME ASNS, GLUL, IL4I1 NPC1 2288/4885ALDH1A1 2259/4885CYP2D6 346/4885
US-20090233883-A1 HETEROCYCLIC RING AND PHOSPHONOXYMETHYL GROUP SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING SAME MTOR, ERG28, MTMR1 NPC1 690/4885ALDH1A1 3058/4885CYP2D6 963/4885
US-20110263845-A1 METHOD FOR MANUFACTURING HETEROCYCLE SUBSTITUTED PYRIDINE DERIVATIVES CBR3, NQO1, F12 NPC1 4633/4885ALDH1A1 786/4885CYP2D6 61/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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